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Updated: Sep 11, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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BOLD-GPCRs:一种以变压器为动力的应用程序,用于预测甲基生物活性和A类GPCR中的突变效应

Davide Provasi, Kirill Konovalov, Nicholas Riina

    bioRxiv : the preprint server for biology
    |August 13, 2025
    PubMed
    概括

    BOLD-GPCRs是一种新的深度学习工具,可以预测药物化合物将如何与G蛋白结合受体 (GPCRs) 相互作用. 这一框架有助于发现新的药物,特别是对研究较少的GPCRs.

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    G Protein-coupled Receptors01:15

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    Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
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